@MOLECULE FDBD03065 48 50 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.5926 0.3159 0.1197 C.3 1 UNK -0.0623 2 C1 0.7911 -0.3265 0.0038 C.3 1 UNK -0.0411 3 C2 1.7545 0.6548 -0.6669 C.3 1 UNK -0.0623 4 C3 1.3096 -0.6763 1.4002 C.3 1 UNK -0.0034 5 C4 0.8131 0.3650 2.4244 C.3 1 UNK -0.0468 6 C5 -0.4593 -0.2763 3.0316 C.3 1 UNK -0.0467 7 C6 -0.0753 -1.7738 3.1268 C.3 1 UNK -0.0018 8 C7 -1.3305 -2.6483 3.1473 C.3 1 UNK -0.0220 9 C8 -2.1169 -2.3690 4.4021 C.ar 1 UNK -0.0469 10 C9 -1.8660 -3.0959 5.5509 C.ar 1 UNK -0.0572 11 C10 -2.5869 -2.8403 6.7021 C.ar 1 UNK -0.0431 12 C11 -3.5598 -1.8567 6.7046 C.ar 1 UNK 0.0410 13 C12 -3.8105 -1.1295 5.5546 C.ar 1 UNK -0.0431 14 C13 -3.0850 -1.3822 4.4056 C.ar 1 UNK -0.0572 15 Cl -4.4661 -1.5354 8.1500 Cl 1 UNK -0.0835 16 C14 0.7448 -2.0362 1.8468 C.3 1 UNK 0.1332 17 C15 -0.1585 -2.6127 0.7547 C.3 1 UNK 0.2065 18 N -0.6138 -3.9474 1.1518 N.ar 1 UNK -0.0686 19 C16 -1.8852 -4.3798 1.2131 C.ar 1 UNK 0.2726 20 N1 -1.8713 -5.6265 1.6095 N.ar 1 UNK -0.2928 21 C17 -0.6152 -6.0230 1.8102 C.ar 1 UNK 0.1651 22 N2 0.1916 -5.0312 1.5381 N.ar 1 UNK 0.0138 23 O 1.8138 -2.9420 2.1274 O.3 1 UNK -0.3816 24 H -0.9552 0.5605 -0.8568 H 1 UNK 0.0232 25 H1 -0.5240 1.2069 0.7082 H 1 UNK 0.0232 26 H2 -1.2663 -0.3704 0.5887 H 1 UNK 0.0232 27 H3 0.7225 -1.2175 -0.5847 H 1 UNK 0.0299 28 H4 1.8231 1.5458 -0.0784 H 1 UNK 0.0232 29 H5 1.3919 0.8994 -1.6434 H 1 UNK 0.0232 30 H6 2.7222 0.2055 -0.7480 H 1 UNK 0.0232 31 H7 2.3785 -0.6969 1.3570 H 1 UNK 0.0333 32 H8 0.5781 1.2904 1.9413 H 1 UNK 0.0269 33 H9 1.5499 0.5947 3.1655 H 1 UNK 0.0269 34 H10 -1.3052 -0.1350 2.3918 H 1 UNK 0.0269 35 H11 -0.7416 0.1497 3.9717 H 1 UNK 0.0269 36 H12 0.4700 -2.0025 4.0186 H 1 UNK 0.0334 37 H13 -1.0469 -3.6798 3.1263 H 1 UNK 0.0317 38 H14 -1.9336 -2.4267 2.2917 H 1 UNK 0.0317 39 H15 -1.1402 -3.8296 5.5489 H 1 UNK 0.0621 40 H16 -2.3995 -3.3830 7.5596 H 1 UNK 0.0632 41 H17 -4.5390 -0.3986 5.5547 H 1 UNK 0.0632 42 H18 -3.2661 -0.8341 3.5501 H 1 UNK 0.0621 43 H19 0.3891 -2.6807 -0.1620 H 1 UNK 0.1085 44 H20 -1.0053 -1.9731 0.6177 H 1 UNK 0.1085 45 H21 -2.7256 -3.8251 0.9869 H 1 UNK 0.1623 46 H22 -2.6696 -6.1877 1.7400 H 1 UNK 0.1720 47 H23 -0.3261 -6.9611 2.1288 H 1 UNK 0.1090 48 H24 2.3807 -2.5685 2.8202 H 1 UNK 0.2105 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 16 1 5 4 5 1 6 5 6 1 7 6 7 1 8 7 8 1 9 7 16 1 10 8 9 1 11 9 14 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 12 13 ar 16 12 15 1 17 13 14 ar 18 16 17 1 19 16 23 1 20 17 18 1 21 18 22 ar 22 18 19 ar 23 19 20 ar 24 20 21 ar 25 21 22 ar 26 1 24 1 27 1 25 1 28 1 26 1 29 2 27 1 30 3 28 1 31 3 29 1 32 3 30 1 33 4 31 1 34 5 32 1 35 5 33 1 36 6 34 1 37 6 35 1 38 7 36 1 39 8 37 1 40 8 38 1 41 10 39 1 42 11 40 1 43 13 41 1 44 14 42 1 45 17 43 1 46 17 44 1 47 19 45 1 48 20 46 1 49 21 47 1 50 23 48 1